SCHEMBL17945261

SCHEMBL17945261

Brc1ccc2c(c1)c1cccc3nc(-c4ccccc4)n2c31

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
GAA P10253 2/20 0.43
AVPR1A P37288 1/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17945258 0.85 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL17945311 0.84 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL17945749 0.83 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL17945239 0.81 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL16613193 0.77 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL17945263 0.76 MAPT (0.45) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL23814025 0.76 ALDH1A1 (0.42) KMT2AMEN1ATMALDH1A1MAPT
SCHEMBL18079867 0.75 ALDH1A1 (0.47) KMT2AMEN1ATMALDH1A1HPGD
SCHEMBL17945972 0.74 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL12957614 0.74 HPGD (0.71) KMT2AMEN1ATMALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 KMT2A 326/4885MEN1 746/4885ATM 2709/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.